| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
| 1 |
1 |
|
B |
126 |
35 |
10380 |
◊ |
A |
x,y,z |
1_555 |
136 |
36 |
10392 |
1196.3 |
-5.7 |
0.315 |
15 |
12 |
0 |
0.150 |
2 |
|
D |
129 |
35 |
10452 |
◊ |
C |
x,y,z |
1_555 |
128 |
35 |
10440 |
1179.9 |
-5.7 |
0.351 |
17 |
12 |
0 |
0.150 |
| Average: |
1188.1 |
-5.7 |
0.333 |
16 |
12 |
0 |
0.150 |
| 2 |
3 |
|
D |
101 |
29 |
10452 |
◊ |
B |
x,y,z |
1_555 |
101 |
29 |
10380 |
953.3 |
0.7 |
0.648 |
24 |
0 |
0 |
0.092 |
4 |
|
C |
101 |
30 |
10440 |
◊ |
A |
x,y,z |
1_555 |
102 |
30 |
10392 |
938.3 |
0.1 |
0.658 |
18 |
0 |
0 |
0.092 |
| Average: |
945.8 |
0.4 |
0.653 |
21 |
0 |
0 |
0.092 |
| 3 |
5 |
|
C |
42 |
13 |
10440 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
40 |
14 |
10392 |
386.1 |
-0.6 |
0.549 |
4 |
2 |
0 |
0.001 |
| 4 |
6 |
|
D |
44 |
15 |
10452 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
37 |
10 |
10440 |
326.4 |
-7.7 |
0.030 |
0 |
0 |
0 |
0.000 |
| 5 |
7 |
|
A |
24 |
8 |
10392 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
30 |
10 |
10392 |
230.0 |
3.4 |
0.855 |
4 |
0 |
0 |
0.000 |
| 6 |
8 |
|
D |
23 |
8 |
10452 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
22 |
6 |
10392 |
221.1 |
-1.9 |
0.315 |
2 |
0 |
0 |
0.001 |
| 7 |
9 |
|
B |
23 |
5 |
10380 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
27 |
8 |
10452 |
217.4 |
-2.1 |
0.181 |
0 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[SO3]A:1227 |
4 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
10392 |
96.0 |
-0.9 |
0.439 |
2 |
0 |
0 |
0.018 |
| 9 |
11 |
|
[SO3]C:1227 |
4 |
1 |
172 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
10440 |
94.7 |
-1.0 |
0.428 |
2 |
0 |
0 |
0.045 |
12 |
|
[SO3]D:1228 |
4 |
1 |
172 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
10452 |
93.1 |
-1.1 |
0.368 |
3 |
0 |
0 |
0.045 |
13 |
|
[SO3]B:1228 |
4 |
1 |
171 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
10380 |
90.4 |
-1.1 |
0.373 |
3 |
0 |
0 |
0.045 |
| Average: |
92.8 |
-1.1 |
0.390 |
3 |
0 |
0 |
0.045 |
| 10 |
14 |
|
[SO4]C:1226 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
17 |
9 |
10440 |
84.2 |
-11.9 |
0.753 |
1 |
0 |
0 |
0.125 |
| 11 |
15 |
|
[SO4]B:1225 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
10380 |
84.0 |
-11.2 |
0.846 |
2 |
0 |
0 |
0.219 |
16 |
|
[SO4]A:1224 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
10392 |
75.7 |
-11.2 |
0.368 |
1 |
0 |
0 |
0.219 |
| Average: |
79.9 |
-11.2 |
0.607 |
2 |
0 |
0 |
0.219 |
| 12 |
17 |
|
[SO4]C:1224 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
10440 |
80.8 |
-11.9 |
0.665 |
3 |
0 |
0 |
0.134 |
| 13 |
18 |
|
[SO4]D:1225 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
10452 |
77.6 |
-11.0 |
0.662 |
2 |
0 |
0 |
0.118 |
| 14 |
19 |
|
[SO4]A:1228 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
10392 |
67.7 |
-9.7 |
0.712 |
1 |
0 |
0 |
0.180 |
20 |
|
[SO4]D:1224 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
10452 |
67.4 |
-9.6 |
0.722 |
1 |
0 |
0 |
0.180 |
21 |
|
[SO4]B:1224 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
10380 |
66.7 |
-9.4 |
0.723 |
0 |
0 |
0 |
0.180 |
| Average: |
67.3 |
-9.6 |
0.719 |
1 |
0 |
0 |
0.180 |
| 15 |
22 |
|
[SO4]B:1227 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
10380 |
65.7 |
-9.4 |
0.651 |
1 |
0 |
0 |
0.091 |
| 16 |
23 |
|
[SO4]A:1226 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
10392 |
65.6 |
-9.0 |
0.660 |
0 |
0 |
0 |
0.091 |
| 17 |
24 |
|
C |
6 |
3 |
10440 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
8 |
3 |
10380 |
64.2 |
0.5 |
0.645 |
1 |
0 |
0 |
0.000 |
| 18 |
25 |
|
[SO4]D:1227 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
10452 |
62.6 |
-8.5 |
0.673 |
1 |
0 |
0 |
0.089 |
| 19 |
26 |
|
[SO4]B:1226 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
10380 |
59.9 |
-8.0 |
0.484 |
1 |
0 |
0 |
0.078 |
| 20 |
27 |
|
[SO4]C:1225 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
10440 |
59.8 |
-7.9 |
0.569 |
2 |
0 |
0 |
0.090 |
| 21 |
28 |
|
[SO4]A:1224 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
10440 |
59.1 |
-7.6 |
0.708 |
1 |
0 |
0 |
0.082 |
| 22 |
29 |
|
[SO4]A:1225 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
10392 |
58.7 |
-7.7 |
0.558 |
1 |
0 |
0 |
0.083 |
| 23 |
30 |
|
[SO4]D:1226 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
10452 |
58.4 |
-7.8 |
0.567 |
2 |
0 |
0 |
0.087 |
| 24 |
31 |
|
[SO4]D:1225 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
10380 |
58.2 |
-7.4 |
0.642 |
0 |
0 |
0 |
0.068 |
| 25 |
32 |
|
[SO4]C:1226 |
5 |
1 |
186 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
9 |
4 |
10392 |
55.8 |
-7.0 |
0.783 |
0 |
0 |
0 |
0.003 |
| 26 |
33 |
|
[SO4]B:1225 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
10452 |
54.2 |
-6.6 |
0.842 |
0 |
0 |
0 |
0.061 |
| 27 |
34 |
|
[SO4]C:1224 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
10392 |
43.7 |
-5.4 |
0.825 |
0 |
0 |
0 |
0.055 |
| 28 |
35 |
|
[SO4]D:1224 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
10440 |
41.2 |
-5.1 |
0.492 |
0 |
0 |
0 |
0.089 |
36 |
|
[SO4]A:1228 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
10380 |
39.5 |
-4.9 |
0.433 |
0 |
0 |
0 |
0.089 |
37 |
|
[SO4]B:1224 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
10392 |
38.1 |
-4.7 |
0.465 |
0 |
0 |
0 |
0.089 |
| Average: |
39.6 |
-4.9 |
0.463 |
0 |
0 |
0 |
0.089 |
| 29 |
38 |
|
[SO3]B:1228 |
3 |
1 |
171 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
10392 |
33.3 |
-1.1 |
0.399 |
0 |
0 |
0 |
0.019 |
39 |
|
[SO3]D:1228 |
2 |
1 |
172 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
10440 |
30.1 |
-0.9 |
0.416 |
0 |
0 |
0 |
0.019 |
40 |
|
[SO3]C:1227 |
3 |
1 |
172 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
10452 |
28.2 |
-1.0 |
0.465 |
0 |
0 |
0 |
0.019 |
41 |
|
[SO3]A:1227 |
2 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
10380 |
26.0 |
-0.9 |
0.407 |
0 |
0 |
0 |
0.019 |
| Average: |
29.4 |
-1.0 |
0.422 |
0 |
0 |
0 |
0.019 |
| 30 |
42 |
|
D |
1 |
1 |
10452 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
10392 |
7.6 |
0.2 |
0.821 |
0 |
0 |
0 |
0.000 |
43 |
|
C |
1 |
1 |
10440 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
10380 |
7.5 |
0.2 |
0.819 |
0 |
0 |
0 |
0.000 |
| Average: |
7.6 |
0.2 |
0.820 |
0 |
0 |
0 |
0.000 |
| 31 |
44 |
|
A |
1 |
1 |
10392 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
10380 |
2.3 |
0.1 |
0.779 |
0 |
0 |
0 |
0.000 |
|